SCHEMBL19816984

SCHEMBL19816984

CN(CCOc1ccc(C=O)nc1)CCOc1ccc(C=O)nc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 2/20 0.45
▸ CHRNA4 P43681 2/20 0.45
▸ KCNH2 Q12809 5/20 0.43
▸ DRD2 P14416 1/20 0.40
▸ CACNA1F O60840 1/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ AGTR1 P30556 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ CACNA1D Q01668 1/20 0.39
▸ CACNA1S Q13698 1/20 0.39
▸ CACNA1C Q13936 1/20 0.39
▸ LTA4H P09960 1/20 0.39
▸ FDPS P14324 1/20 0.38
▸ TSHR P16473 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3386711 0.90 CHRNB2 (0.51) CHRNB2CHRNA4LTA4H
SCHEMBL20550900 0.84 MCHR1 (0.53) LTA4H
SCHEMBL31434287 0.84 MCHR1 (0.53) LTA4H
SCHEMBL7373164 0.81 CA12 (0.42) LTA4H
SCHEMBL8522859 0.81 MAPT (0.44) LTA4HTSHR
SCHEMBL252784 0.81 GAA (0.39) —
SCHEMBL31371078 0.80 FDPS (0.40) FDPS
SCHEMBL17662278 0.80 ALDH1A1 (0.43) FDPS
SCHEMBL31371000 0.79 PDK2 (0.47) DRD2
SCHEMBL3298622 0.78 ALDH1A1 (0.42) —

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3490557-B1 COMBINATION THERAPIES FOR TREATING CANCER UNIV VIRGINIA PATENT FOUNDATION (US) 2022-09-07 — — EP disclosed
US-11241421-B2 Combination therapies for treating cancer UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2022-02-08 — — US disclosed
US-11241421-B2 Combination therapies for treating cancer UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2022-02-08 — — US disclosed
US-20190343820-A1 COMBINATION THERAPIES FOR TREATING CANCER UNIVERSITY OF VIRGINIA 2019-11-14 — — US disclosed
US-20190343820-A1 COMBINATION THERAPIES FOR TREATING CANCER UNIVERSITY OF VIRGINIA 2019-11-14 — — US disclosed
EP-3490557-A1 COMBINATION THERAPIES FOR TREATING CANCER University Of Virginia Patent Foundation (US) 2019-06-05 — — EP disclosed
WO-2018022855-A1 COMBINATION THERAPIES FOR TREATING CANCER UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2018-02-01 — — WO disclosed
WO-2018022855-A1 COMBINATION THERAPIES FOR TREATING CANCER UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2018-02-01 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190343820-A1 COMBINATION THERAPIES FOR TREATING CANCER MCL1, MLLT1, FLI1 CHRNB2 4212/4885CHRNA4 4091/4885KCNH2 2850/4885
US-11241421-B2 Combination therapies for treating cancer MCL1, MLLT1, FLI1 CHRNB2 4212/4885CHRNA4 4091/4885KCNH2 2850/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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